Basic information
- Standard SMILES
N#CNC(=S)Nc1ccccc1Cl- InChIKey
BXJUVBBNVKTBLQ-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3S
- Average molar mass
- 211.67 g/mol
- Monoisotopic mass
- 210.9970961
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-N'-cyanothiourea
- IUPAC
- 1-(2-chlorophenyl)-3-cyanothiourea
Names & synonyms
SCHEMBL6818184SCHEMBL19773941BXJUVBBNVKTBLQ-UHFFFAOYSA-NN-(2-chlorophenyl)-N'-cyanothioureaN-Cyano-N'-(2-chlorophenyl)thiourea
Database identifiers
- PubChem CID
- 11769784
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Related reactions
3 records
Compound notes
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